SCHEMBL7005328

SCHEMBL7005328

CCCOc1cccc(-c2nccc3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
NTRK1 P04629 2/20 0.47
GPBAR1 Q8TDU6 2/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
DHODH Q02127 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP19A1 P11511 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALOX12 P18054 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7004326 0.89 S1PR1 (0.44) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL9097183 0.85 GAA (0.53) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL29808138 0.83 ADORA2A (0.55) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL1038650 0.83 ADORA2A (0.55) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL17449880 0.79 KDM4E (0.57) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL29607745 0.79 KDM4E (0.57) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7005074 0.77 S1PR1 (0.51) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL11886387 0.77 CYP1A2 (0.56) MAPTKMT2AKDM4ECYP1A2CYP2C9
SCHEMBL28426686 0.76 ADORA2A (0.48) MAPTCYP1A2CYP2C9TDP1CYP3A4
SCHEMBL28420591 0.76 ADORA2A (0.48) MAPTKMT2AKDM4ELMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed